Geometry & MOs

Info

ID:	348475
PubChem CID:	127273586
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	21.55
Dipole, Da:	8.16
IP(EA), eV:	-8.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3=CN4C=C(N=C4C=C3)C

DOS

IR

Vibrations